N-(3-chloro-2-methylphenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0397 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=Nc2c(C(=N)N1c1cccc(c1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7149 |
| logD: | -0.4299 |
| logSw: | -4.3201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.764 |
| InChI Key: | MERLGZJQOXAXTI-UHFFFAOYSA-N |